(4aS,8aR)-6,7-dimethoxy-2-methyl-1-oxidanylidene-8,8a-dihydro-5H-isoquinoline-4a-carbonitrile

Systemtic Name: (4aS,8aR)-6,7-dimethoxy-2-methyl-1-oxidanylidene-8,8a-dihydro-5H-isoquinoline-4a-carbonitrile Openeye Name: (4aS,8aR)-6,7-dimethoxy-2-methyl-1-oxo-8,8a-dihydro-5H-isoquinoline-4a-carbonitrile CAS Name: (4aS,8aR)-6,7-dimethoxy-2-methyl-1-oxo-8,8a-dihydro-5H-isoquinoline-4a-carbonitrile IUPAC Name: (4aS,8aR)-6,7-dimethoxy-2-methyl-1-oxo-8,8a-dihydro-5H-isoquinoline-4a-carbonitrile Traditional Name: (4aS,8aR)-1-keto-6,7-dimethoxy-2-methyl-8,8a-dihydro-5H-isoquinoline-4a-carbonitrile Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2(CC(=C(CC2C1=O)OC)OC)C#N

Isomeric SMILES

CN1C=C[C@]2(CC(=C(C[C@H]2C1=O)OC)OC)C#N

InChI

InChI=1S/C13H16N2O3/c1-15-5-4-13(8-14)7-11(18-3)10(17-2)6-9(13)12(15)16/h4-5,9H,6-7H2,1-3H3/t9-,13-/m0/s1